N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide

Systemtic Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Openeye Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide CAS Name: N-(1-butyl-8-methyl-3-pyrazolo[3,4-b]quinolinyl)-3-nitrobenzamide IUPAC Name: N-(1-butyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide Traditional Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-3-4-11-26-21-18(13-15-8-5-7-14(2)19(15)23-21)20(25-26)24-22(28)16-9-6-10-17(12-16)27(29)30/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25,28)